(5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone

C17H19FN2O2 — CID 138380566

IUPAC(5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
SMILESCn1c(C(=O)N2CCCC2C2(O)CC2)cc2cc(F)ccc21
InChIInChI=1S/C17H19FN2O2/c1-19-13-5-4-12(18)9-11(13)10-14(19)16(21)20-8-2-3-15(20)17(22)6-7-17/h4-5,9-10,15,22H,2-3,6-8H2,1H3
InChIKeyYAZKWBZHZQLLCD-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.45
Rot. Bonds2

About (5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone

(5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone (PubChem CID 138380566) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
PubChem CID138380566
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
SMILESCn1c(C(=O)N2CCCC2C2(O)CC2)cc2cc(F)ccc21
InChIInChI=1S/C17H19FN2O2/c1-19-13-5-4-12(18)9-11(13)10-14(19)16(21)20-8-2-3-15(20)17(22)6-7-17/h4-5,9-10,15,22H,2-3,6-8H2,1H3
InChIKeyYAZKWBZHZQLLCD-UHFFFAOYSA-N
XLogP2.45
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 124961212
(5-fluoro-1-methylindol-2-yl)-[(1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181355
(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 118786071
1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70762197
(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide
CID 125008346
7-(cyclobutylmethyl)-2-(5-fluoro-1-methylindole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72889842
1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 110086619
1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086615
(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 124994773
(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 124982107
(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
CID 125017209
(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97196379

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone (CID 138380566) is (5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone is Cn1c(C(=O)N2CCCC2C2(O)CC2)cc2cc(F)ccc21.
What is the InChIKey of (5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone?
The InChIKey is YAZKWBZHZQLLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-19-13-5-4-12(18)9-11(13)10-14(19)16(21)20-8-2-3-15(20)17(22)6-7-17/h4-5,9-10,15,22H,2-3,6-8H2,1H3.
What are the key properties of (5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone?
(5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 138380566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).